[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

C21H22ClNO3 — CID 8950186

IUPAC[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C21H22ClNO3/c1-13-6-9-18(22)12-19(13)23-21(25)14(2)26-20(24)11-15-7-8-16-4-3-5-17(16)10-15/h6-10,12,14H,3-5,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyCKHUNDZHKKUNOS-CQSZACIVSA-N
MW371.86 g/mol
LogP4.25
Rot. Bonds5

About [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 8950186) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID8950186
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C21H22ClNO3/c1-13-6-9-18(22)12-19(13)23-21(25)14(2)26-20(24)11-15-7-8-16-4-3-5-17(16)10-15/h6-10,12,14H,3-5,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyCKHUNDZHKKUNOS-CQSZACIVSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535807
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063158
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8949828
[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738294
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535455
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 46827079
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535885
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 55418829
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46618072
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 27508482
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8959371
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945638

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (CID 8950186) is [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is CKHUNDZHKKUNOS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-13-6-9-18(22)12-19(13)23-21(25)14(2)26-20(24)11-15-7-8-16-4-3-5-17(16)10-15/h6-10,12,14H,3-5,11H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 371.86 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 8950186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).